1LW5

X-ray structure of L-Threonine Aldolase (low-specificity) in complex with glycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	200
Detector technology	CCD
Collection date	2001-07-13
Detector	MARRESEARCH
Wavelength(s)	0.9690
Spacegroup name	P 21 21 21
Unit cell lengths	96.020, 100.710, 150.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000 *
R-factor	0.2088
Rwork	0.207
R-free	0.23700
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.120
High resolution limit [Å]	2.000 *	2.050
Rmerge	0.100 *	0.279 *
Total number of observations	903510 *
Number of reflections	86689
Completeness [%]	95.1	91.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	glycine,PEG400, calcium chloride, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	30 (%(v/v))
2	1	reservoir		200 (mM)
3	1	reservoir	HEPES	0.1 (M)	pH7.5
4	1	reservoir	TCEP	0.5 (mM)